Geometry & MOs

Info

ID:	86837
PubChem CID:	49889619
Reduced:	FINSCl2O4H19C26 (1)
Stoich.:	ABCDE2F4G19H26 (1)
Weight, g/mol:	608.87679
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	3.87
IP(EA), eV:	-8.91(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-ethoxy-3,5-diiodophenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)I)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations